1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole

C11H11F3N4O — CID 23117955

IUPAC1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole
SMILESCCCOc1cccc(-n2nnnc2C(F)(F)F)c1
InChIInChI=1S/C11H11F3N4O/c1-2-6-19-9-5-3-4-8(7-9)18-10(11(12,13)14)15-16-17-18/h3-5,7H,2,6H2,1H3
InChIKeyNVOGGRABIHYEJK-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.47
Rot. Bonds4

About 1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole

1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole (PubChem CID 23117955) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole
PubChem CID23117955
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole
SMILESCCCOc1cccc(-n2nnnc2C(F)(F)F)c1
InChIInChI=1S/C11H11F3N4O/c1-2-6-19-9-5-3-4-8(7-9)18-10(11(12,13)14)15-16-17-18/h3-5,7H,2,6H2,1H3
InChIKeyNVOGGRABIHYEJK-UHFFFAOYSA-N
XLogP2.47
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole (CID 23117955) is 1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole is CCCOc1cccc(-n2nnnc2C(F)(F)F)c1.
What is the InChIKey of 1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole?
The InChIKey is NVOGGRABIHYEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-2-6-19-9-5-3-4-8(7-9)18-10(11(12,13)14)15-16-17-18/h3-5,7H,2,6H2,1H3.
What are the key properties of 1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole?
1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole has a molecular weight of 272.23 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxyphenyl)-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 23117955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).